Born-Oppenheimer Expansion for Diatomic Molecules with Large Angular Momentum

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Date

2007-10-29

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Virginia Tech

Abstract

Semiclassical and Born-Oppenheimer approximations are used to provide uniform error bounds for the energies of diatomic molecules for bounded vibrational quantum number n and large angular momentum quantum number l. Specifically, results are given when (l + 1) < κ𝛜⁻³/². Explicit formulas for the approximate energies are also given. Numerical comparisons for the H+₂ and HD+ molecules are presented.

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Keywords

Born-Oppenheimer Approximation, Semiclassical Approximation, Diatomic Molecules

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